CID 167723068

Ethyl 2-methoxy-3-methyl-3,4,5,6-tetrahydropyridine-3-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCOC(=O)C1(CCCN=C1OC)C
InChI
InChI=1S/C10H17NO3/c1-4-14-9(12)10(2)6-5-7-11-8(10)13-3/h4-7H2,1-3H3
InChIKey
ISKVPOCEYTZYDG-UHFFFAOYSA-N
Compound name
ethyl 6-methoxy-5-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 143.6
[M+Na]+ 222.11007 150.5
[M-H]- 198.11357 145.7
[M+NH4]+ 217.15467 163.8
[M+K]+ 238.08401 150.6
[M+H-H2O]+ 182.11811 137.8
[M+HCOO]- 244.11905 163.7
[M+CH3COO]- 258.13470 183.1
[M+Na-2H]- 220.09552 148.8
[M]+ 199.12030 145.2
[M]- 199.12140 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.